NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2878 8.2649 123.5823 52.1855 20.7243 177.5447
  2     T  3.6762 7.9275 112.8576 63.0622 68.6746 168.0346
  3     V  4.1841 9.0952 127.8907 61.4264 33.6448 174.7226
  4     R  4.7944 8.4205 125.1334 54.4778 33.4335 174.5956
  5     T  4.7854 8.1816 108.4606 60.1372 71.6804 172.8964
  6     Y  4.7612 8.2720 122.3256 56.2758 41.6420 174.1759
  7     S  4.5748 8.0877 123.3194 56.8207 64.8451 173.8728
  8     C  4.0688 8.0397 118.5085 58.4597 29.3236 173.6858

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     A  8.26 4.29 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     T  7.93 3.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 
  3     V  9.10 4.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.01 0.00 0.00 
  4     R  8.42 4.79 0.00 1.81 1.81 0.00 3.20 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 
  5     T  8.18 4.79 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 
  6     Y  8.27 4.76 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     S  8.09 4.57 0.00 3.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     C  8.04 4.07 0.00 3.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00